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CHEBI:200217 - Decalpenic acid

ChEBI IDCHEBI:200217
ChEBI NameDecalpenic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O2
Net Charge0
Average Mass366.545
Monoisotopic Mass366.25588
SMILESCCC[C@@H]1C=C[C@@H]2CC(C)=CC[C@H]2[C@]1(C)/C=C(C)/C=C/C=C/C=C/C(=O)O
InChIInChI=1S/C25H34O2/c1-5-10-22-15-14-21-17-19(2)13-16-23(21)25(22,4)18-20(3)11-8-6-7-9-12-24(26)27/h6-9,11-15,18,21-23H,5,10,16-17H2,1-4H3,(H,26,27)/b7-6+,11-8+,12-9+,20-18+/t21-,22-,23-,25-/m1/s1
InChIKeyLRLMBKDNFKCUAP-DPNAJYCGSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (20940725)
ChEBI Ontology
Outgoing Relation(s)
Decalpenic acid (CHEBI:200217) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(2E,4E,6E,8E)-9-[(1R,2R,4aS,8aR)-1,6-dimethyl-2-propyl-4a,5,8,8a-tetrahydro-2H-naphthalen-1-yl]-8-methylnona-2,4,6,8-tetraenoic acid
Manual XrefsDatabases
28288359ChemSpider